Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | OGG1 | O15527 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1025732 | 1.00 | CYP2A6 (0.40) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL756324 | 0.79 | PDE2A (0.50) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL19997246 | 0.79 | CYP2A6 (0.44) | CYP2A6CA2CA1CA5ACA9 | |
| Iodide SCHEMBL25233569 | 0.77 | PDE2A (0.48) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL3661955 | 0.77 | TSHR (0.55) | CYP2A6CA2CA1CA5ACA9 | |
| Hydrochloric Acid SCHEMBL992228 | 0.77 | PDE2A (0.48) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL19981810 | 0.77 | TSHR (0.55) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL3980605 | 0.77 | TSHR (0.55) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL7944567 | 0.75 | CYP2A6 (0.40) | CYP2A6CA2CA1CA5ACA9 | |
| SCHEMBL1704452 | 0.75 | KCNN4 (0.41) | ALDH1A1MAPK1NOS1PDE2AHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009056993-A2 | A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-05-07 | — | — | WO | claimed |
| WO-2009117421-A2 | HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009056993-A2 | A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-05-07 | — | — | WO | disclosed |